1XTA

Crystal Structure of Natrin, a snake venom CRISP from Taiwan cobra (Naja atra)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL17B2
Synchrotron site	NSRRC
Beamline	BL17B2
Temperature [K]	110
Detector technology	CCD
Collection date	2004-08-15
Detector	ADSC QUANTUM 210
Wavelength(s)	1.743
Spacegroup name	C 2 2 21
Unit cell lengths	59.127, 64.985, 242.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.580
R-factor	0.228
Rwork	0.223
R-free	0.25100
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.427
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.640
High resolution limit [Å]	1.580	1.580
Number of reflections	59203
Completeness [%]	95.6	83.7
Redundancy	6.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	291	PEG6000, ammonium citrate, HEPES, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	7.4	291	PEG6000, ammonium citrate, HEPES, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K